Synthetic Route of 16009-13-5, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 16009-13-5, Name is Hemin, molecular formula is C34H32ClFeN4O4. In a Article£¬once mentioned of 16009-13-5
Binding of azole drugs to heme: A combined MS/MS and computational approach
The binding properties of azole drugs toward ferric heme have been examined, focusing on well known antifungal drugs bearing imidazole and triazole heteroaromatic rings. These drugs are known to act as inhibitors of the Candida albicans P450 sterol 14alpha-demethylase enzyme, through binding to the heme prosthetic group. Absolute binding energies have been determined experimentally by energy variable collision induced dissociation experiments performed on the selected ionic complexes and evaluated theoretically using density functional theory, within the Car-Parrinello Molecular Dynamics method. The two series display some agreement in the relative binding energies data. These findings suggest that the combined ab initio and mass spectrometric approach may prove fruitful in assaying complexes between a prosthetic group and an array of ligands of potential pharmacological activity. It is shown that the axial interaction of the imidazole-based drugs with iron(III) is somewhat stronger than that of the triazole-based drugs. This general observation fails if specific interactions remote from the metal center come into play. For example, a hydrogen bond interaction is established in the ferric heme complex with fluconazole, a drug of the triazole family owning a hydroxyl group prone to interact with the carbonyl oxygen of a propionyl group on the periphery of protoporphyrin IX. However, the relatively uniform values for both the experimental and theoretically calculated binding energies underline the important role played by the prosthetic group environment in tuning the heme interaction with biological and xenobiotic molecules and ultimately in modulating enzyme activity.
Binding of azole drugs to heme: A combined MS/MS and computational approach
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Synthetic Route of 16009-13-5. In my other articles, you can also check out more blogs about 16009-13-5
Reference£º
Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion